NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.6595 8.4093 119.2082 52.6784 41.5066 175.1952 6 P 4.4831 0.0000 0.0000 61.3973 34.3588 175.4560 7 L 4.0280 8.6860 118.5621 57.9870 41.8400 180.8153 8 E 3.9441 8.1556 118.6306 59.3079 29.8156 178.5937 9 A 4.0877 7.9540 120.3316 55.0883 18.4391 179.5518 10 Q 3.9665 8.2106 116.5539 59.0147 28.7434 178.4964 11 A 4.0360 8.2483 121.9272 54.9562 18.2553 179.2986 12 W 4.1195 8.3615 126.4117 60.8469 30.5893 177.9609 13 A 4.3768 7.7991 120.1780 54.6768 18.0555 179.3205 14 L 4.0961 8.2026 117.5595 57.9175 41.7600 179.6407 15 L 4.0295 8.1699 118.6908 57.0579 41.2798 178.6441 16 E 4.1566 7.7198 117.6940 57.6355 29.1966 177.8593 17 A 4.6401 7.7315 120.2353 52.0598 19.4711 177.1189 18 V 3.9401 7.4472 118.6600 62.5835 32.2107 174.4226 19 Y 4.7521 8.5738 125.9235 56.3539 40.0748 175.2691 20 D 4.4749 8.9650 124.2676 52.8226 41.5786 174.8993 21 P 4.2558 0.0000 0.0000 65.9889 31.6492 177.5625 22 E 4.1095 7.8983 116.0919 59.4315 29.3272 178.5669 23 L 4.3019 7.8660 114.8056 54.1825 42.5077 176.9338 24 G 3.9859 8.4866 106.7739 46.4579 0.0000 173.3354 25 L 4.6348 7.4134 117.2414 51.3296 46.1666 175.9283 26 D 4.2127 7.1891 119.8574 52.8947 41.5201 177.8402 27 V 3.4516 8.1519 114.8799 64.2991 31.4340 179.3951 28 V 3.2100 7.3424 117.6573 65.9578 31.4346 177.7725 29 N 4.4685 8.8473 116.1310 55.7415 38.1262 176.8447 30 L 4.3677 7.6818 118.8699 54.8984 41.8687 177.3545 31 G 4.2026 7.8075 106.1984 46.9949 0.0000 174.7679 32 L 3.9967 8.0873 120.0297 55.3298 42.0198 177.1361 33 I 4.1387 7.5237 119.9339 60.4108 37.4236 174.7041 34 Y 4.9004 8.8066 124.6514 60.0273 38.9651 175.9393 35 D 4.9463 8.0058 116.8896 52.8323 45.2980 174.2418 36 L 5.1404 8.5786 126.1897 53.8721 45.0257 175.1527 37 V 4.4772 9.6294 126.7834 61.1197 34.7231 174.1193 38 V 4.5800 8.7866 127.8013 61.3294 33.4744 174.8836 39 E 4.4858 9.2046 129.3275 52.9530 30.2671 171.6967 40 P 4.5489 0.0000 0.0000 61.8348 32.2147 173.8028 41 P 5.5902 0.0000 0.0000 62.7138 32.5566 175.4044 42 R 5.6770 8.6763 119.3583 54.4492 33.4057 175.0192 43 A 5.0768 8.3167 121.5342 50.6937 22.8239 174.3899 44 Y 5.3090 9.7020 124.1959 55.7383 42.5370 174.7268 45 V 4.6926 7.6285 124.5413 60.1606 35.1108 173.7355 46 R 5.0347 8.5933 124.6526 53.9450 33.0836 174.8955 *48 T 4.1275 8.0811 116.9384 61.9731 67.9435 172.2663 49 L 4.6670 7.7905 121.1889 52.5378 44.7095 178.0702 50 T 3.1035 7.9763 110.1193 63.5053 69.0428 174.7876 51 T 4.5908 6.8797 115.3240 60.4750 71.1419 171.9048 52 P 3.3761 0.0000 0.0000 63.1420 31.3725 174.5958 53 G 3.7378 6.8133 111.9882 43.7902 0.0000 171.6396 54 C 4.4670 8.3073 123.3392 58.4721 28.7867 172.1606 55 P 4.6037 0.0000 0.0000 61.9835 31.9241 176.4630 56 L 4.0704 8.3794 118.7946 57.4371 41.6999 177.3078 57 H 4.7658 7.8042 117.1310 53.7570 32.2370 173.7787 58 D 4.5809 8.4057 128.7108 53.2530 38.1444 176.1843 59 S 3.9289 7.6688 120.0272 60.9872 63.4128 175.7499 60 L 3.9769 7.7754 122.7447 58.0557 41.9503 179.1072 61 G 3.6605 8.2035 107.0677 47.1514 0.0000 175.3008 62 E 3.8990 8.1420 121.5036 59.0302 29.6796 178.8336 63 A 3.9788 8.1022 120.8573 54.9273 18.4101 179.8475 64 V 3.4579 7.6736 116.9470 66.0574 31.7195 178.2250 65 R 3.8448 8.0395 118.4853 59.3917 29.6630 178.3907 66 Q 3.9513 7.9559 116.5609 59.0099 29.1027 178.3905 67 A 4.1334 7.9990 121.5262 55.3867 18.4659 179.7693 68 L 4.0507 7.9128 117.0783 57.7320 41.4420 179.6825 69 S 4.2734 7.7695 113.6747 60.8507 62.7842 176.0993 70 R 4.1270 7.6461 119.2784 56.8916 30.6193 177.0053 71 L 4.1306 7.4398 120.2018 53.6657 42.2488 174.8078 72 P 4.4115 0.0000 0.0000 64.1314 31.7233 176.8605 73 G 3.8325 8.9981 110.0554 45.3879 0.0000 172.3796 74 V 4.5519 7.4394 119.4911 61.5226 31.9977 174.9789 75 E 4.7965 8.9794 126.7613 56.0856 32.0547 176.1507 76 E 4.5815 8.0258 117.7029 54.6690 32.7098 174.2557 77 V 4.8032 8.5476 124.7069 60.8845 33.7884 174.0230 78 E 4.5568 9.2712 129.6010 54.5598 31.5313 174.4818 79 V 4.2362 8.4012 127.2612 61.3348 33.3221 174.2380 80 E 4.4692 8.6387 128.9233 54.7882 31.3633 175.4283 81 V 4.1266 8.2497 125.2034 61.5308 32.4977 174.6258 82 T 4.4171 8.0552 121.5297 60.3379 70.0769 173.4762 83 F 5.1067 8.4432 119.8215 57.0110 39.9243 174.5947 84 E 4.8232 8.4002 120.5008 53.8202 31.9490 174.3092 85 P 4.6063 0.0000 0.0000 61.2645 32.3524 174.2613 86 P 4.7841 0.0000 0.0000 61.8490 31.8244 176.2701 87 W 4.5263 8.9975 132.5606 57.6645 31.6117 174.7756 88 T 4.3691 6.9186 112.0321 59.4678 71.4618 174.7256 89 L 3.4728 7.8150 121.1437 57.1229 41.7334 179.4901 90 A 3.9407 7.1252 120.6243 54.6061 17.9555 178.4315 91 R 4.2177 7.5988 113.9141 56.8248 30.5291 176.8260 92 L 4.4073 7.6131 118.9891 54.4968 42.3838 177.1182 93 S 4.5335 8.7226 116.5705 57.5360 64.3934 175.0134 94 E 3.9836 8.7232 121.1739 59.1745 29.3472 178.8738 95 K 3.9257 8.0387 119.1502 59.3593 32.5360 178.3600 96 A 3.9559 8.1410 121.1191 55.2295 18.3314 179.6388 97 R 3.8888 7.9981 116.4045 59.6423 30.2305 179.0338 98 R 3.8901 7.7705 117.1179 59.6882 29.9225 178.7881 99 L 3.9406 7.4930 116.7318 58.0064 41.8018 179.2932 100 L 3.8916 7.4541 116.0768 54.8208 41.5813 178.0366 101 G 3.9239 7.6891 106.6850 45.5737 0.0000 173.7579 102 W 4.6902 7.8610 124.7628 56.6325 29.2182 176.1177 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 N 8.41 4.66 0.00 2.71 2.80 0.00 0.00 7.03 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.48 0.00 2.38 2.15 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 7 L 8.69 4.03 0.00 1.73 1.81 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.16 3.94 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 9 A 7.95 4.09 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.21 3.97 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 11 A 8.25 4.04 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 W 8.36 4.12 0.00 3.56 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.80 4.38 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.20 4.10 0.00 1.89 1.72 1.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.17 4.03 0.00 1.44 1.42 0.77 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.72 4.16 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.37 0.00 17 A 7.73 4.64 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.45 3.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.91 0.00 0.00 19 Y 8.57 4.75 0.00 2.78 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.97 4.47 0.00 2.52 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.26 0.00 2.06 2.12 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 22 E 7.90 4.11 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 23 L 7.87 4.30 0.00 1.58 1.64 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.49 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.41 4.63 0.00 1.54 1.27 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.19 4.21 0.00 2.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.15 3.45 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.73 0.00 0.00 28 V 7.34 3.21 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 -0.07 0.00 0.00 29 N 8.85 4.47 0.00 2.71 2.81 0.00 0.00 7.12 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.68 4.37 0.00 1.73 1.75 0.81 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.81 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.09 4.00 0.00 1.56 1.57 0.59 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.52 4.14 1.87 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.46 1.02 0.00 0.00 34 Y 8.81 4.90 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.01 4.95 0.00 2.94 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.58 5.14 0.00 1.84 1.68 1.01 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 V 9.63 4.48 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.04 0.00 0.00 38 V 8.79 4.58 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.00 0.00 0.00 39 E 9.20 4.49 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 40 P 0.00 4.55 0.00 1.98 2.19 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 41 P 0.00 5.59 0.00 2.12 2.26 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.84 0.00 42 R 8.68 5.68 0.00 1.94 1.90 0.00 3.11 0.00 0.00 3.31 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.41 0.00 43 A 8.32 5.08 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 9.70 5.31 0.00 2.97 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.63 4.69 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.86 0.00 0.00 46 R 8.59 5.03 0.00 1.93 1.90 0.00 3.30 0.00 0.00 3.39 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.40 0.00 *48 T 8.08 4.13 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 49 L 7.79 4.67 0.00 2.03 1.47 1.05 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.98 3.10 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 51 T 6.88 4.59 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 52 P 0.00 3.38 0.00 1.87 1.88 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 53 G 6.81 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.31 4.47 0.00 3.05 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.60 0.00 2.31 2.06 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 56 L 8.38 4.07 0.00 1.68 1.79 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 H 7.80 4.77 0.00 2.98 3.14 0.00 5.92 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.41 4.58 0.00 2.78 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.67 3.93 0.00 3.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.78 3.98 0.00 1.66 1.54 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.20 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.14 3.90 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 63 A 8.10 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.67 3.46 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.89 0.00 0.00 65 R 8.04 3.84 0.00 1.88 2.03 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 66 Q 7.96 3.95 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 67 A 8.00 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.91 4.05 0.00 1.72 1.73 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.77 4.27 0.00 4.04 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.65 4.13 0.00 1.93 1.99 0.00 3.33 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 71 L 7.44 4.13 0.00 1.87 1.61 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.41 0.00 2.18 2.08 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 73 G 9.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.44 4.55 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.95 0.00 0.00 75 E 8.98 4.80 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 76 E 8.03 4.58 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 77 V 8.55 4.80 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.93 0.00 0.00 78 E 9.27 4.56 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 79 V 8.40 4.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.84 0.00 0.00 80 E 8.64 4.47 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 81 V 8.25 4.13 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.84 0.00 0.00 82 T 8.06 4.42 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 83 F 8.44 5.11 0.00 3.17 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.40 4.82 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 85 P 0.00 4.61 0.00 2.18 2.01 0.00 3.28 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 86 P 0.00 4.78 0.00 2.31 2.22 0.00 3.44 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 87 W 9.00 4.53 0.00 3.40 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 6.92 4.37 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 89 L 7.82 3.47 0.00 1.58 1.84 0.53 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.13 3.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.60 4.22 0.00 1.69 2.10 0.00 3.11 0.00 0.00 3.55 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.43 0.00 92 L 7.61 4.41 0.00 1.73 1.70 1.17 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.72 4.53 0.00 4.05 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.72 3.98 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 95 K 8.04 3.93 0.00 1.88 1.80 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.51 7.81 96 A 8.14 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.00 3.89 0.00 2.13 2.09 0.00 3.21 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 98 R 7.77 3.89 0.00 2.09 1.99 0.00 3.15 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 99 L 7.49 3.94 0.00 1.69 1.67 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.45 3.89 0.00 0.79 0.13 -0.05 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 101 G 7.69 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 W 7.86 4.69 0.00 3.42 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.